Li2VP2O7
Li2VP2O7 is a vanadium phosphate compound investigated as a potential cathode material for lithium-ion battery technologies.
About Li2VP2O7
Li2VP2O7 belongs to the class of vanadium phosphate cathode materials, which are extensively investigated for their potential in high-performance electrochemical energy storage. As a wide-gap insulator, it possesses unique electronic properties that influence its charge transport characteristics during cycling.
This compound is identified as being near-hull in terms of thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its structural framework, typical of complex vanadium phosphates, provides a robust host lattice for lithium-ion mobility, making it a subject of interest for next-generation battery development.
Key Properties
Cross-validated computational properties for Li2VP2O7, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Li2VP2O7, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 2.92 | 0.0167 | -7.536 | 2.71 |
| P-1 (No. 2) | triclinic | 3.14 | 0.0365 | -7.516 | 2.92 |
| P21/c (No. 14) | monoclinic | 2.92 | 0.0373 | -7.516 | 2.92 |
| C2/c (No. 15) | monoclinic | 3.13 | 0.0416 | -7.511 | 2.67 |
| P1 (No. 1) | triclinic | 0.26 | 0.0436 | -7.509 | 2.81 |
| P-1 (No. 2) | triclinic | 2.96 | 0.0445 | -7.508 | 2.85 |
| P21/c (No. 14) | monoclinic | 2.16 | 0.0547 | -7.498 | 2.81 |
| C2/c (No. 15) | monoclinic | 2.72 | 0.0601 | -7.493 | 2.46 |
| P-1 (No. 2) | triclinic | 2.91 | 0.0685 | -7.484 | 2.87 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0906 | -7.462 | 2.87 |
| P-1 (No. 2) | triclinic | 0.00 | 2.3350 | -5.218 | 2.87 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.46 |
Applications
Where Li2VP2O7 is used.
Frequently Asked Questions
Common questions about Li2VP2O7, answered from cross-validated data.
What is Li2VP2O7?
Li2VP2O7 is a vanadium phosphate compound investigated as a potential cathode material for lithium-ion battery technologies.
What is Li2VP2O7 used for?
What is the band gap of Li2VP2O7?
Is Li2VP2O7 a metal, semiconductor, or insulator?
Is Li2VP2O7 thermodynamically stable?
What is the crystal structure of Li2VP2O7?
What is the density of Li2VP2O7?
How many polymorphs of Li2VP2O7 are known?
What elements does Li2VP2O7 contain?
Where does the data for Li2VP2O7 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse family of vanadium phosphate cathodes, Li2VP2O7 occupies a distinct structural niche compared to simpler members like LiVPO4. While many siblings in this class exhibit varying degrees of electrochemical activity, Li2VP2O7 is distinguished by its specific stoichiometry and structural arrangement, which differentiates its stability and ion-diffusion pathways from more commonly studied phases like LiVP2O7.
Related Compounds
Other Vanadium Phosphate Cathodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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